Molecule

ID:16135

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FN₂
Molecular Mass
240.2755232
Exact Mass
240.10627665
Charge
0
InChI
InChI=1S/C15H13FN2/c16-12-5-7-13(8-6-12)17-9-11-10-18-15-4-2-1-3-14(11)15/h1-8,10,17-18H,9H2
InChIKey
MDPHUMVCHPMXFO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)NCc1c[nH]c2c1cccc2
Isomeric Smiles
c1(c[nH]c2c1cccc2)CNc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
15.971643
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.400376
LogD (pH = 7.4)
3.4118133
Log P
3.411961
Molar Refractivity
72.1673
Polarizability
27.777037
Polar Surface Area
27.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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